3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one

C16H12N2O2S — CID 810270

IUPAC3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccccc2)C(=S)N1C(=O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c19-14-11-17(13-9-5-2-6-10-13)16(21)18(14)15(20)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyGWMWNIPOHDICEO-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.46
Rot. Bonds2

About 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one

3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 810270) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID810270
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccccc2)C(=S)N1C(=O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c19-14-11-17(13-9-5-2-6-10-13)16(21)18(14)15(20)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyGWMWNIPOHDICEO-UHFFFAOYSA-N
XLogP2.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one (CID 810270) is 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1CN(c2ccccc2)C(=S)N1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GWMWNIPOHDICEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-14-11-17(13-9-5-2-6-10-13)16(21)18(14)15(20)12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one?
3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 296.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 810270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).